2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone Openeye Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone CAS Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)ethanone Traditional Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)CCC3=CC=CC=C3)C)C4CC4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)CCC3=CC=CC=C3)C)C4CC4

InChI

InChI=1S/C23H28N4OS/c1-4-26-22(19-10-11-19)24-25-23(26)29-15-21(28)20-14-16(2)27(17(20)3)13-12-18-8-6-5-7-9-18/h5-9,14,19H,4,10-13,15H2,1-3H3